5-Formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid
| Internal ID | 5827bdd5-e70e-4c29-aa14-a3b125b06711 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 5-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)C(=O)O)C)C=O |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)C(=O)O)C)C=O |
| InChI | InChI=1S/C20H30O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h12-16H,3-11H2,1-2H3,(H,22,23) |
| InChI Key | KVKFKHMIIMGSRS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 5-Formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/5-formyl-59-dimethyltetracyclo11210110049hexadecane-14-carboxylic-acid.jpg "2D Structure of 5-Formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.43% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.97% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.75% | 96.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.03% | 95.58% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.97% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.74% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.33% | 91.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.50% | 95.50% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 84.04% | 95.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.43% | 91.19% |
| CHEMBL268 | P43235 | Cathepsin K | 82.52% | 96.85% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.00% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.42% | 95.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.62% | 96.61% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.33% | 99.29% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.32% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.04% | 97.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Annona glabra |
| Annona senegalensis |
| Annona squamosa |
| Cordia glazioviana |
| PubChem | 3364630 |
| LOTUS | LTS0028329 |
| wikiData | Q105146567 |